Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C1C(C(=O)O)C2CCC1C2)N1CCN(CC1)c1ccc(F)cc1 |
InChI | InChI | 1.03 | InChI=1S/C19H23FN2O3/c20-14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(23)16-12-1-2-13(11-12)17(16)19(24)25/h3-6,12-13,16-17H,1-2,7-11H2,(H,24,25)/t12-,13+,16-,17+/m0/s1 |
InChIKey | InChI | 1.03 | IGLAQRKZPMAAST-UWWPHRKUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N3CCN(CC3)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1[CH]2CC[CH](C2)[CH]1C(=O)N3CCN(CC3)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2CCN(CC2)C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C(=O)O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2CCN(CC2)C(=O)C3C4CCC(C4)C3C(=O)O)F |